#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp1 s GLN 11 N 0.00 3.85 -0.17 -1.46 2.00 -1.26 -4.08 119.66 118.55 3dp1 s GLN 11 Ca 0.00 -0.38 -0.02 0.00 -2.00 0.00 0.00 55.36 52.96 3dp1 s GLN 11 Cb 0.00 -3.42 -0.02 0.00 0.80 0.00 0.00 33.01 30.38 3dp1 s GLN 11 CO 0.00 -0.06 -0.08 -0.06 -0.50 0.00 0.00 175.29 174.59 3dp1 s PHE 12 N 1.32 2.92 0.60 1.67 0.40 -0.80 -5.00 117.98 119.09 3dp1 s PHE 12 Ca 0.06 -0.67 0.05 0.00 -0.60 0.00 0.00 56.93 55.77 3dp1 s PHE 12 Cb -0.15 -1.96 0.08 0.00 0.51 0.00 0.00 43.02 41.50 3dp1 s PHE 12 CO 0.05 -0.29 0.82 -0.06 0.70 0.00 0.00 175.22 176.44 3dp1 s PHE 13 N 0.76 1.84 0.30 0.36 0.40 -1.26 -1.28 117.98 119.09 3dp1 s PHE 13 Ca -0.03 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 3dp1 s PHE 13 Cb -0.15 -2.55 0.76 0.00 0.51 0.00 0.00 43.02 41.59 3dp1 s PHE 13 CO 0.02 -1.19 1.72 0.97 0.70 0.00 0.00 175.22 177.43 3dp1 h ILE 14 N 0.01 0.53 0.00 0.64 6.09 -1.92 0.40 117.51 123.26 3dp1 h ILE 14 Ca -0.35 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 62.95 3dp1 h ILE 14 Cb 1.28 -0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 3dp1 h ILE 14 CO 0.42 0.09 -0.09 1.05 -3.07 0.00 0.00 178.15 176.56 3dp1 h GLU 15 N 0.49 0.00 0.11 2.19 9.09 -1.94 -0.10 114.58 124.42 3dp1 h GLU 15 Ca 0.58 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.84 3dp1 h GLU 15 Cb 1.06 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.18 3dp1 h GLU 15 CO -0.49 0.09 -0.66 0.45 0.05 0.00 0.00 179.01 178.45 3dp1 h HIS 16 N 0.00 0.44 -0.93 2.06 3.86 -0.64 -3.17 115.15 116.76 3dp1 h HIS 16 Ca -0.00 -0.32 0.05 0.00 -1.16 0.00 0.00 60.37 58.94 3dp1 h HIS 16 Cb 0.42 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 3dp1 h HIS 16 CO 0.00 1.25 0.60 0.82 0.86 0.00 0.00 177.93 181.46 3dp1 h ILE 17 N -0.49 1.11 -0.12 2.45 2.04 -0.68 -1.80 117.51 120.02 3dp1 h ILE 17 Ca -0.12 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3dp1 h ILE 17 Cb 1.52 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3dp1 h ILE 17 CO 0.12 0.21 0.08 -0.07 0.00 0.00 0.00 178.15 178.48 3dp1 h LEU 18 N 1.13 0.13 -0.05 1.44 3.38 -1.09 -0.66 115.31 119.59 3dp1 h LEU 18 Ca 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3dp1 h LEU 18 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dp1 h LEU 18 CO -0.15 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3dp1 n GLN 19 N -4.52 0.27 -0.09 1.13 6.02 -0.69 -4.30 117.38 115.19 3dp1 n GLN 19 Ca -0.01 0.24 -0.20 0.00 -0.01 0.00 0.00 57.00 57.01 3dp1 n GLN 19 Cb 0.08 -1.82 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 3dp1 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp1 n ILE 20 N -2.29 1.11 -3.07 5.09 2.08 -0.62 -4.46 119.36 117.21 3dp1 n ILE 20 Ca 0.05 -0.23 -0.38 0.00 0.56 0.00 0.00 62.75 62.75 3dp1 n ILE 20 Cb 0.42 -1.80 -0.06 0.00 -0.75 0.00 0.00 39.64 37.45 3dp1 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp1 s LEU 21 N -7.12 4.51 0.38 1.39 1.43 -0.35 -4.79 118.68 114.14 3dp1 s LEU 21 Ca -0.27 1.51 0.21 0.00 -1.03 0.00 0.00 54.13 54.55 3dp1 s LEU 21 Cb 0.10 -3.30 0.37 0.00 0.03 0.00 0.00 46.19 43.39 3dp1 s LEU 21 CO 0.34 0.17 1.60 1.55 0.23 0.00 0.00 176.35 180.24 3dp1 h PRO 22 N 4.11 0.00 -6.76 1.29 0.13 -1.87 -3.44 132.00 125.47 3dp1 h PRO 22 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 3dp1 h PRO 22 Cb 1.20 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.47 3dp1 h PRO 22 CO 0.65 0.23 0.31 0.72 -0.23 0.00 0.00 178.00 179.68 3dp1 n HIS 23 N -3.19 1.57 -4.27 1.56 8.25 -1.26 -5.02 115.22 112.87 3dp1 n HIS 23 Ca 0.02 0.51 -0.19 0.00 -0.26 0.00 0.00 57.72 57.81 3dp1 n HIS 23 Cb 0.59 -2.28 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 3dp1 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dp1 s ARG 24 N -2.23 1.74 0.31 -0.41 1.81 -1.26 -4.68 118.95 114.23 3dp1 s ARG 24 Ca 0.64 -1.99 -0.30 0.00 -1.72 0.00 0.00 55.73 52.37 3dp1 s ARG 24 Cb -0.51 0.33 -0.12 0.00 -0.45 0.00 0.00 34.95 34.20 3dp1 s ARG 24 CO 0.56 -0.65 1.51 0.98 -0.68 0.00 0.00 175.30 177.02 3dp1 n TYR 25 N -0.60 2.72 -1.50 -0.53 9.36 -1.26 0.85 117.16 126.19 3dp1 n TYR 25 Ca 0.07 0.36 -0.34 0.00 3.32 0.00 0.00 57.90 61.30 3dp1 n TYR 25 Cb 0.62 -2.54 0.07 0.00 -0.63 0.00 0.00 39.34 36.86 3dp1 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dp1 n PRO 26 N 1.57 2.81 -0.05 2.98 -0.04 -1.26 -4.91 135.00 136.10 3dp1 n PRO 26 Ca 0.07 -3.44 0.04 0.00 -0.04 0.00 0.00 63.50 60.13 3dp1 n PRO 26 Cb 0.36 -2.29 0.05 0.00 -0.04 0.00 0.00 33.50 31.59 3dp1 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp1 n MET 27 N -0.84 1.96 -3.24 0.54 2.81 0.25 -4.92 117.12 113.69 3dp1 n MET 27 Ca 0.59 -1.82 -0.45 0.00 -1.81 0.00 0.00 57.70 54.21 3dp1 n MET 27 Cb 0.63 -1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 31.96 3dp1 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp1 s LEU 28 N -1.60 5.77 -0.42 4.03 2.96 -0.81 -4.55 118.68 124.06 3dp1 s LEU 28 Ca 0.12 -1.56 0.05 0.00 -0.22 0.00 0.00 54.13 52.52 3dp1 s LEU 28 Cb 0.11 -2.26 0.56 0.00 0.50 0.00 0.00 46.19 45.10 3dp1 s LEU 28 CO 0.01 -0.93 1.72 0.18 -1.32 0.00 0.00 176.35 176.01 3dp1 n LEU 29 N 5.69 5.81 -3.81 -0.68 4.77 -1.26 -4.89 117.00 122.64 3dp1 n LEU 29 Ca -0.12 -3.88 -0.22 0.00 -0.03 0.00 0.00 56.01 51.76 3dp1 n LEU 29 Cb 0.42 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.58 3dp1 n LEU 29 CO 0.55 1.29 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.81 3dp1 s VAL 30 N -3.64 0.45 -0.12 4.08 1.01 -1.26 -4.63 120.40 116.30 3dp1 s VAL 30 Ca 0.53 0.04 0.16 0.00 0.00 0.00 0.00 61.98 62.71 3dp1 s VAL 30 Cb 0.45 -0.57 -0.23 0.00 0.00 0.00 0.00 36.38 36.03 3dp1 s VAL 30 CO 0.04 0.26 0.42 0.47 0.00 0.00 0.00 175.10 176.29 3dp1 n ASP 31 N 4.87 0.47 -3.58 3.32 8.00 -0.36 -4.95 116.55 124.31 3dp1 n ASP 31 Ca -0.12 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.44 3dp1 n ASP 31 Cb 0.50 0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 42.02 3dp1 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp1 s ARG 32 N -2.61 0.93 -0.25 -1.24 3.52 -0.96 -3.21 118.95 115.13 3dp1 s ARG 32 Ca -0.07 0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.95 3dp1 s ARG 32 Cb 0.07 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.88 3dp1 s ARG 32 CO 0.83 -0.23 0.07 0.42 -0.81 0.00 0.00 175.30 175.57 3dp1 s ILE 33 N -0.61 4.26 -0.12 4.11 -1.09 -0.40 -1.48 121.20 125.87 3dp1 s ILE 33 Ca -0.07 -0.20 0.13 0.00 -2.23 0.00 0.00 60.65 58.28 3dp1 s ILE 33 Cb -0.02 -3.00 -0.24 0.00 -1.58 0.00 0.00 42.46 37.62 3dp1 s ILE 33 CO 0.06 0.33 0.35 0.35 -1.23 0.00 0.00 174.94 174.81 3dp1 n THR 34 N 4.92 1.52 -3.89 2.92 -2.24 -0.37 -1.90 114.28 115.24 3dp1 n THR 34 Ca -0.16 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.70 3dp1 n THR 34 Cb 0.51 -0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 67.77 3dp1 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dp1 s GLU 35 N -2.55 0.22 -0.16 -0.78 2.02 -0.85 -4.55 118.70 112.05 3dp1 s GLU 35 Ca -0.09 -0.19 -0.07 0.00 0.02 0.00 0.00 54.97 54.63 3dp1 s GLU 35 Cb 0.07 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.46 3dp1 s GLU 35 CO 0.81 -0.04 0.37 -1.17 0.02 0.00 0.00 175.26 175.25 3dp1 s LEU 36 N -0.65 -0.19 -0.21 1.80 2.96 -1.26 -1.96 118.68 119.16 3dp1 s LEU 36 Ca -0.07 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 3dp1 s LEU 36 Cb -0.04 1.16 0.07 0.00 0.50 0.00 0.00 46.19 47.88 3dp1 s LEU 36 CO 0.00 -0.21 0.09 -1.10 -1.32 0.00 0.00 176.35 173.82 3dp1 s GLN 37 N 1.85 0.23 0.14 1.98 -0.21 -0.84 -5.03 119.66 117.79 3dp1 s GLN 37 Ca -0.06 -0.32 -0.33 0.00 0.02 0.00 0.00 55.36 54.68 3dp1 s GLN 37 Cb -0.10 -1.71 -0.17 0.00 1.00 0.00 0.00 33.01 32.03 3dp1 s GLN 37 CO -0.12 -0.78 0.90 0.00 -2.12 0.00 0.00 175.29 173.18 3dp1 n ALA 38 N 5.21 -2.24 -1.15 6.09 0.00 -1.26 -1.12 120.51 126.04 3dp1 n ALA 38 Ca -0.07 0.49 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 3dp1 n ALA 38 Cb 0.46 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 3dp1 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp1 n ASN 39 N 1.82 -5.03 0.00 0.00 5.03 -1.26 -4.73 115.26 111.09 3dp1 n ASN 39 Ca 0.17 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.81 3dp1 n ASN 39 Cb 0.21 -3.60 0.00 0.00 -1.02 0.00 0.00 39.78 35.36 3dp1 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dp1 n GLN 40 N -0.42 0.00 -3.94 3.52 6.02 -0.28 -4.71 117.38 117.57 3dp1 n GLN 40 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 3dp1 n GLN 40 Cb 0.50 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.74 3dp1 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp1 s LYS 41 N -0.54 1.84 -0.19 -1.09 -2.85 -0.89 0.24 119.74 116.25 3dp1 s LYS 41 Ca 0.00 -1.34 -0.16 0.00 -1.00 0.00 0.00 55.97 53.47 3dp1 s LYS 41 Cb 0.00 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 36.36 3dp1 s LYS 41 CO 0.00 -0.81 0.50 -1.50 0.10 0.00 0.00 175.35 173.64 3dp1 s ILE 42 N -3.40 -0.00 -0.11 3.79 2.07 0.12 -1.98 121.20 121.68 3dp1 s ILE 42 Ca 0.20 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 3dp1 s ILE 42 Cb -0.03 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.86 3dp1 s ILE 42 CO 0.11 0.01 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.24 3dp1 s VAL 43 N 0.53 1.96 0.35 4.00 1.01 -0.83 -1.22 120.40 126.19 3dp1 s VAL 43 Ca -0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3dp1 s VAL 43 Cb -0.04 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3dp1 s VAL 43 CO -0.03 0.54 0.52 0.00 0.00 0.00 0.00 175.10 176.12 3dp1 s ALA 44 N 0.52 0.54 0.17 5.51 0.00 -0.22 -1.24 121.76 127.04 3dp1 s ALA 44 Ca -0.15 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 3dp1 s ALA 44 Cb -0.17 1.09 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3dp1 s ALA 44 CO 0.05 -0.82 0.54 1.52 0.00 0.00 0.00 175.76 177.05 3dp1 s TYR 45 N -2.99 -0.32 -0.03 0.00 1.13 -0.55 0.19 117.35 114.78 3dp1 s TYR 45 Ca 0.28 0.03 0.02 0.00 -1.41 0.00 0.00 57.07 55.99 3dp1 s TYR 45 Cb -0.01 0.45 0.01 0.00 -1.10 0.00 0.00 41.96 41.31 3dp1 s TYR 45 CO 0.19 -0.85 -0.07 0.21 -2.51 0.00 0.00 175.55 172.52 3dp1 s LYS 46 N -3.81 0.81 0.27 -3.49 2.20 0.47 -1.23 119.74 114.96 3dp1 s LYS 46 Ca 0.04 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.18 3dp1 s LYS 46 Cb -0.01 -0.78 -0.09 0.00 -1.51 0.00 0.00 37.83 35.44 3dp1 s LYS 46 CO -0.09 0.04 0.90 -0.80 -0.36 0.00 0.00 175.35 175.04 3dp1 s ASN 47 N 0.39 7.40 -0.21 1.43 0.01 -1.26 -1.11 114.94 121.58 3dp1 s ASN 47 Ca -0.05 1.79 -0.03 0.00 -0.71 0.00 0.00 52.86 53.86 3dp1 s ASN 47 Cb -0.10 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3dp1 s ASN 47 CO 0.00 0.04 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.93 3dp1 s ILE 48 N -1.42 3.06 0.12 0.60 -1.09 -0.38 -4.93 121.20 117.16 3dp1 s ILE 48 Ca 0.45 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 58.30 3dp1 s ILE 48 Cb -0.21 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 3dp1 s ILE 48 CO 0.26 0.43 -0.14 0.28 -1.23 0.00 0.00 174.94 174.54 3dp1 s THR 49 N 1.43 1.34 0.45 2.92 -1.32 -1.26 0.83 115.64 120.03 3dp1 s THR 49 Ca 0.05 -1.71 0.19 0.00 -1.21 0.00 0.00 61.69 59.01 3dp1 s THR 49 Cb -0.14 -1.53 0.22 0.00 -1.51 0.00 0.00 72.50 69.54 3dp1 s THR 49 CO -0.05 -0.41 2.03 0.15 -2.21 0.00 0.00 174.62 174.13 3dp1 h PHE 50 N 3.54 0.00 0.00 9.09 3.57 -1.95 -3.23 116.94 127.95 3dp1 h PHE 50 Ca -0.40 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3dp1 h PHE 50 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 3dp1 h PHE 50 CO 0.65 0.15 -0.01 -1.71 -2.23 0.00 0.00 178.31 175.17 3dp1 n ASN 51 N -4.11 3.17 -4.11 0.41 5.15 -1.26 -4.74 115.26 109.77 3dp1 n ASN 51 Ca -0.02 -1.90 -0.29 0.00 -0.60 0.00 0.00 54.58 51.77 3dp1 n ASN 51 Cb 0.23 -0.72 -0.17 0.00 -0.53 0.00 0.00 39.78 38.60 3dp1 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3dp1 s GLU 52 N 1.05 2.45 0.31 1.20 2.02 -1.22 -5.04 118.70 119.48 3dp1 s GLU 52 Ca 0.10 -0.66 0.08 0.00 0.02 0.00 0.00 54.97 54.51 3dp1 s GLU 52 Cb 0.05 -1.97 0.84 0.00 0.10 0.00 0.00 34.13 33.14 3dp1 s GLU 52 CO 0.00 0.03 1.73 0.22 0.02 0.00 0.00 175.26 177.27 3dp1 h ASP 53 N 7.10 0.65 -1.07 -0.19 3.58 -1.94 -1.26 116.42 123.29 3dp1 h ASP 53 Ca -0.28 0.13 0.29 0.00 0.42 0.00 0.00 57.03 57.59 3dp1 h ASP 53 Cb 1.20 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 3dp1 h ASP 53 CO 0.49 0.12 0.71 1.62 -2.88 0.00 0.00 179.24 179.30 3dp1 h VAL 54 N 0.59 0.49 0.00 2.25 3.04 -1.96 -0.29 116.25 120.37 3dp1 h VAL 54 Ca 0.62 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 66.21 3dp1 h VAL 54 Cb 1.15 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 3dp1 h VAL 54 CO -0.47 0.05 0.00 -0.26 -1.01 0.00 0.00 177.57 175.89 3dp1 h PHE 55 N 0.29 0.00 -0.01 3.17 -1.00 -1.51 -2.53 116.94 115.34 3dp1 h PHE 55 Ca 0.59 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.36 3dp1 h PHE 55 Cb 1.70 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.26 3dp1 h PHE 55 CO -0.00 0.00 -0.03 -0.91 -1.61 0.00 0.00 178.31 175.76 3dp1 h ASN 56 N 0.00 0.01 -0.01 2.17 2.35 -1.21 -3.15 115.58 115.74 3dp1 h ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp1 h ASN 56 Cb 0.37 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3dp1 h ASN 56 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 3dp1 n GLY 57 N -1.45 2.50 2.41 2.83 0.00 -0.98 -4.17 105.19 106.33 3dp1 n GLY 57 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3dp1 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp1 n HIS 58 N -0.42 -1.47 -4.40 1.61 -0.00 -1.06 -4.55 115.22 104.93 3dp1 n HIS 58 Ca 0.00 -2.91 -0.20 0.00 -0.00 0.00 0.00 57.72 54.61 3dp1 n HIS 58 Cb 0.23 0.38 -0.10 0.00 -0.00 0.00 0.00 29.99 30.49 3dp1 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp1 s PHE 59 N -0.27 1.86 0.16 1.57 0.40 0.13 -0.86 117.98 120.97 3dp1 s PHE 59 Ca 0.33 -0.73 -0.33 0.00 -0.60 0.00 0.00 56.93 55.60 3dp1 s PHE 59 Cb 0.13 -1.05 -0.13 0.00 0.51 0.00 0.00 43.02 42.47 3dp1 s PHE 59 CO -0.15 0.22 1.67 -2.30 0.70 0.00 0.00 175.22 175.36 3dp1 n PRO 60 N -0.54 2.42 -0.78 0.24 -0.02 -1.26 -0.92 135.00 134.14 3dp1 n PRO 60 Ca -0.06 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3dp1 n PRO 60 Cb 0.63 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3dp1 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dp1 n ASN 61 N 4.00 -0.75 -3.03 2.55 4.13 -1.26 -4.86 115.26 116.04 3dp1 n ASN 61 Ca 0.17 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.31 3dp1 n ASN 61 Cb 0.32 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 37.06 3dp1 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3dp1 s LYS 62 N -0.62 0.98 -0.28 3.52 2.47 -0.10 -5.12 119.74 120.59 3dp1 s LYS 62 Ca 0.00 -1.38 -0.29 0.00 -1.56 0.00 0.00 55.97 52.74 3dp1 s LYS 62 Cb 0.00 -0.55 -0.02 0.00 -1.46 0.00 0.00 37.83 35.80 3dp1 s LYS 62 CO 0.00 -1.34 1.69 -1.25 0.16 0.00 0.00 175.35 174.61 3dp1 s PRO 63 N 0.67 3.57 -0.13 4.03 0.04 -1.21 0.19 135.00 142.15 3dp1 s PRO 63 Ca 0.30 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 3dp1 s PRO 63 Cb 0.00 -4.11 0.02 0.00 0.04 0.00 0.00 34.50 30.45 3dp1 s PRO 63 CO -0.10 -1.57 -0.11 0.42 0.04 0.00 0.00 177.00 175.68 3dp1 s ILE 64 N 6.00 1.31 -0.05 0.56 -1.09 -0.03 -4.57 121.20 123.33 3dp1 s ILE 64 Ca 0.75 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3dp1 s ILE 64 Cb -0.23 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.32 3dp1 s ILE 64 CO 0.32 0.41 1.64 0.12 -1.23 0.00 0.00 174.94 176.20 3dp1 s PHE 65 N 1.59 2.00 -0.13 3.97 5.36 0.17 -4.56 117.98 126.39 3dp1 s PHE 65 Ca 0.05 0.21 -0.40 0.00 -0.96 0.00 0.00 56.93 55.84 3dp1 s PHE 65 Cb -0.13 -3.91 -0.17 0.00 -0.34 0.00 0.00 43.02 38.47 3dp1 s PHE 65 CO -0.10 -3.80 1.48 -2.30 -1.46 0.00 0.00 175.22 169.04 3dp1 n PRO 66 N 7.09 0.85 -0.29 10.12 -0.02 -1.26 -4.61 135.00 146.88 3dp1 n PRO 66 Ca 0.17 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 3dp1 n PRO 66 Cb 0.43 -1.93 0.33 0.00 -0.02 0.00 0.00 33.50 32.31 3dp1 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp1 h GLY 67 N 5.33 1.33 2.00 -1.23 0.00 -1.98 0.37 103.07 108.89 3dp1 h GLY 67 Ca -0.47 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 3dp1 h GLY 67 CO 0.85 0.12 -0.24 -0.39 0.00 0.00 0.00 176.54 176.88 3dp1 h VAL 68 N 0.80 0.98 0.00 4.60 -1.51 -2.00 -1.89 116.25 117.23 3dp1 h VAL 68 Ca 0.45 -0.87 -0.05 0.00 -1.23 0.00 0.00 66.70 65.00 3dp1 h VAL 68 Cb 0.61 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3dp1 h VAL 68 CO -0.22 0.23 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.07 3dp1 h LEU 69 N 0.00 0.00 -0.17 4.19 3.38 -1.30 -0.99 115.31 120.42 3dp1 h LEU 69 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3dp1 h LEU 69 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3dp1 h LEU 69 CO 0.03 0.22 -0.14 0.40 0.09 0.00 0.00 178.44 179.04 3dp1 h ILE 70 N 0.00 1.33 -0.82 1.22 2.04 -0.75 -0.93 117.51 119.60 3dp1 h ILE 70 Ca -0.00 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3dp1 h ILE 70 Cb 1.12 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3dp1 h ILE 70 CO 0.03 0.38 0.37 0.58 0.00 0.00 0.00 178.15 179.51 3dp1 h VAL 71 N 0.05 1.26 -0.51 1.67 2.07 -1.29 -1.36 116.25 118.14 3dp1 h VAL 71 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3dp1 h VAL 71 Cb 0.66 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3dp1 h VAL 71 CO 0.04 0.32 0.34 -0.08 0.02 0.00 0.00 177.57 178.20 3dp1 h GLU 72 N 1.18 0.68 -0.42 1.57 4.57 -1.04 0.80 114.58 121.91 3dp1 h GLU 72 Ca 0.28 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3dp1 h GLU 72 Cb 0.15 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3dp1 h GLU 72 CO -0.03 0.46 0.22 0.78 -1.18 0.00 0.00 179.01 179.25 3dp1 h GLY 73 N 0.70 0.62 1.20 1.92 0.00 -0.65 0.99 103.07 107.85 3dp1 h GLY 73 Ca 0.19 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3dp1 h GLY 73 CO -0.04 0.26 -0.54 -0.33 0.00 0.00 0.00 176.54 175.89 3dp1 h MET 74 N 0.59 0.84 -0.34 4.80 2.86 -0.29 -1.36 114.93 122.03 3dp1 h MET 74 Ca 0.15 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3dp1 h MET 74 Cb 0.04 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3dp1 h MET 74 CO -0.02 1.16 0.14 0.00 1.06 0.00 0.00 176.91 179.25 3dp1 h ALA 75 N 0.73 0.44 -0.76 6.32 0.00 -0.06 0.04 119.26 125.96 3dp1 h ALA 75 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dp1 h ALA 75 Cb 1.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3dp1 h ALA 75 CO 0.12 0.04 0.36 1.96 0.00 0.00 0.00 179.25 181.72 3dp1 h GLN 76 N 0.40 1.11 -0.23 0.00 4.20 -0.78 0.49 115.11 120.30 3dp1 h GLN 76 Ca 0.11 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dp1 h GLN 76 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3dp1 h GLN 76 CO -0.01 0.87 0.15 0.77 -0.67 0.00 0.00 178.83 179.94 3dp1 h SER 77 N 1.08 0.27 -0.03 1.46 0.02 -0.93 -0.14 113.55 115.27 3dp1 h SER 77 Ca 0.26 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3dp1 h SER 77 Cb 0.13 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3dp1 h SER 77 CO -0.03 0.20 -0.02 1.23 -1.14 0.00 0.00 176.83 177.07 3dp1 h GLY 78 N 0.31 0.16 0.94 -3.77 0.00 -0.33 -1.91 103.07 98.47 3dp1 h GLY 78 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3dp1 h GLY 78 CO -0.02 0.07 -0.04 -1.33 0.00 0.00 0.00 176.54 175.23 3dp1 h GLY 79 N 0.38 0.73 1.00 4.60 0.00 0.13 -0.15 103.07 109.76 3dp1 h GLY 79 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3dp1 h GLY 79 CO 0.00 0.52 0.40 -2.75 0.00 0.00 0.00 176.54 174.72 3dp1 h PHE 80 N 0.49 0.81 -0.46 5.60 3.57 -0.43 0.15 116.94 126.67 3dp1 h PHE 80 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dp1 h PHE 80 Cb 0.52 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dp1 h PHE 80 CO 0.04 0.53 0.27 1.25 -2.23 0.00 0.00 178.31 178.17 3dp1 h LEU 81 N 0.85 0.43 -0.21 0.59 5.85 -1.17 -1.75 115.31 119.90 3dp1 h LEU 81 Ca 0.23 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3dp1 h LEU 81 Cb -0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3dp1 h LEU 81 CO -0.05 0.31 0.06 0.00 -0.34 0.00 0.00 178.44 178.42 3dp1 h ALA 82 N 1.20 0.28 0.20 1.25 0.00 -0.18 -0.76 119.26 121.25 3dp1 h ALA 82 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dp1 h ALA 82 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dp1 h ALA 82 CO -0.09 -0.09 -0.24 0.74 0.00 0.00 0.00 179.25 179.57 3dp1 h PHE 83 N 0.16 -0.64 -0.21 0.00 -1.00 -0.55 -1.61 116.94 113.10 3dp1 h PHE 83 Ca 0.07 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3dp1 h PHE 83 Cb 0.25 0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 3dp1 h PHE 83 CO 0.00 -0.35 -0.22 1.79 -1.61 0.00 0.00 178.31 177.93 3dp1 h THR 84 N -0.49 1.24 -0.11 -1.55 1.35 -1.33 -0.44 112.91 111.58 3dp1 h THR 84 Ca 0.01 -1.13 -0.08 0.00 -0.55 0.00 0.00 66.41 64.65 3dp1 h THR 84 Cb 0.47 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3dp1 h THR 84 CO -0.08 0.35 -0.30 0.28 -0.25 0.00 0.00 175.52 175.52 3dp1 h SER 85 N 0.33 0.21 0.00 5.36 0.02 -0.90 0.36 113.55 118.93 3dp1 h SER 85 Ca 0.06 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3dp1 h SER 85 Cb 0.58 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3dp1 h SER 85 CO 0.04 0.51 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.07 3dp1 h LEU 86 N 0.19 0.00 -2.36 5.07 3.38 -0.78 -3.42 115.31 117.39 3dp1 h LEU 86 Ca 0.03 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3dp1 h LEU 86 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3dp1 h LEU 86 CO 0.05 0.93 0.00 0.79 0.09 0.00 0.00 178.44 180.29 3dp1 n TRP 87 N -4.63 0.03 -3.92 1.13 8.01 -0.22 -5.11 117.44 112.72 3dp1 n TRP 87 Ca -0.10 -0.34 0.01 0.00 -1.31 0.00 0.00 57.50 55.76 3dp1 n TRP 87 Cb 0.39 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.31 29.66 3dp1 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp1 n GLY 88 N -0.26 -1.77 3.56 6.99 0.00 0.13 -4.23 105.19 109.60 3dp1 n GLY 88 Ca 0.01 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 3dp1 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp1 s PHE 89 N -0.15 2.63 -0.44 1.61 5.36 -1.26 -4.22 117.98 121.52 3dp1 s PHE 89 Ca 0.00 -1.09 0.03 0.00 -0.96 0.00 0.00 56.93 54.91 3dp1 s PHE 89 Cb 0.00 -4.69 0.12 0.00 -0.34 0.00 0.00 43.02 38.11 3dp1 s PHE 89 CO 0.00 -1.88 0.18 0.34 -1.46 0.00 0.00 175.22 172.40 3dp1 s ASP 90 N 4.70 4.28 0.46 6.13 -1.08 -1.26 -4.98 116.67 124.92 3dp1 s ASP 90 Ca 0.48 -2.58 0.15 0.00 -0.52 0.00 0.00 52.55 50.08 3dp1 s ASP 90 Cb 0.01 -1.45 1.10 0.00 -1.46 0.00 0.00 42.92 41.12 3dp1 s ASP 90 CO -0.05 -0.30 2.02 -0.65 0.52 0.00 0.00 175.17 176.71 3dp1 h PRO 91 N 7.00 0.29 -0.10 4.34 0.11 -1.91 -2.38 132.00 139.35 3dp1 h PRO 91 Ca -0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3dp1 h PRO 91 Cb 0.94 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dp1 h PRO 91 CO 0.58 0.19 0.04 0.93 -0.21 0.00 0.00 178.00 179.53 3dp1 h GLU 92 N 0.30 0.15 -0.33 1.05 4.39 -1.93 -2.45 114.58 115.76 3dp1 h GLU 92 Ca 0.21 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 3dp1 h GLU 92 Cb 0.45 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3dp1 h GLU 92 CO -0.05 0.27 -0.04 0.82 -1.16 0.00 0.00 179.01 178.85 3dp1 h ILE 93 N -0.01 1.27 -0.54 3.13 2.04 -1.92 -3.23 117.51 118.26 3dp1 h ILE 93 Ca 0.03 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 64.94 3dp1 h ILE 93 Cb 0.18 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3dp1 h ILE 93 CO -0.00 0.34 0.07 0.00 0.00 0.00 0.00 178.15 178.56 3dp1 h ALA 94 N 0.82 0.59 0.00 1.87 0.00 -1.38 -2.27 119.26 118.89 3dp1 h ALA 94 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dp1 h ALA 94 Cb 0.52 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dp1 h ALA 94 CO 0.03 -0.34 0.15 0.36 0.00 0.00 0.00 179.25 179.45 3dp1 n LYS 95 N -5.16 0.04 0.00 0.00 2.85 -0.93 -0.35 118.16 114.61 3dp1 n LYS 95 Ca 0.07 0.46 0.09 0.00 -1.05 0.00 0.00 58.31 57.88 3dp1 n LYS 95 Cb 0.29 -1.79 -0.04 0.00 -0.65 0.00 0.00 35.03 32.84 3dp1 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3dp1 n THR 96 N -1.67 0.00 -3.92 0.58 -2.24 -0.85 -4.97 114.28 101.21 3dp1 n THR 96 Ca -0.00 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.34 3dp1 n THR 96 Cb 0.16 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 3dp1 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp1 s LYS 97 N -2.38 2.93 0.30 -0.78 3.01 0.53 0.10 119.74 123.46 3dp1 s LYS 97 Ca 0.13 -1.11 0.05 0.00 -1.01 0.00 0.00 55.97 54.04 3dp1 s LYS 97 Cb 0.15 -2.59 -0.03 0.00 -1.01 0.00 0.00 37.83 34.35 3dp1 s LYS 97 CO 0.58 0.26 0.26 0.96 0.51 0.00 0.00 175.35 177.91 3dp1 s ILE 98 N -2.18 0.00 -0.01 2.17 -4.36 0.95 -4.69 121.20 113.08 3dp1 s ILE 98 Ca 0.37 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3dp1 s ILE 98 Cb -0.07 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.13 3dp1 s ILE 98 CO 0.27 0.00 -0.04 -0.69 0.24 0.00 0.00 174.94 174.72 3dp1 s VAL 99 N -3.58 0.33 0.01 8.37 1.01 -1.26 -1.17 120.40 124.10 3dp1 s VAL 99 Ca 0.40 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.29 3dp1 s VAL 99 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3dp1 s VAL 99 CO 0.24 0.11 -0.18 -0.31 0.00 0.00 0.00 175.10 174.96 3dp1 s TYR 100 N 0.08 2.56 0.05 5.22 1.51 0.48 -4.95 117.35 122.29 3dp1 s TYR 100 Ca -0.00 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.51 3dp1 s TYR 100 Cb -0.04 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3dp1 s TYR 100 CO -0.00 0.19 0.93 0.12 -1.11 0.00 0.00 175.55 175.67 3dp1 s PHE 101 N -0.82 3.73 -0.18 2.71 2.19 -1.26 -0.42 117.98 123.93 3dp1 s PHE 101 Ca 0.13 1.69 -0.08 0.00 0.33 0.00 0.00 56.93 59.00 3dp1 s PHE 101 Cb -0.10 -3.04 -0.08 0.00 -1.31 0.00 0.00 43.02 38.49 3dp1 s PHE 101 CO 0.03 0.12 -0.22 -1.33 1.83 0.00 0.00 175.22 175.65 3dp1 n MET 102 N 3.30 0.39 -3.79 10.12 2.81 0.63 -4.89 117.12 125.68 3dp1 n MET 102 Ca 0.03 0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 55.98 3dp1 n MET 102 Cb 0.50 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.77 3dp1 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp1 s THR 103 N -2.33 0.10 -0.01 2.03 -4.23 -0.69 -4.98 115.64 105.53 3dp1 s THR 103 Ca -0.25 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3dp1 s THR 103 Cb 0.09 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.87 3dp1 s THR 103 CO 0.33 -0.48 0.03 -0.63 -0.54 0.00 0.00 174.62 173.33 3dp1 s ILE 104 N -3.05 -0.01 0.17 2.99 1.01 -1.26 -1.28 121.20 119.76 3dp1 s ILE 104 Ca -0.01 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 3dp1 s ILE 104 Cb 0.01 -0.06 0.06 0.00 0.01 0.00 0.00 42.46 42.49 3dp1 s ILE 104 CO -0.06 0.02 0.59 -0.62 0.00 0.00 0.00 174.94 174.87 3dp1 s ASP 105 N 0.28 -0.52 -1.45 3.58 2.15 -0.38 -4.98 116.67 115.34 3dp1 s ASP 105 Ca -0.02 -0.07 -0.07 0.00 0.43 0.00 0.00 52.55 52.82 3dp1 s ASP 105 Cb -0.03 0.60 0.05 0.00 -0.30 0.00 0.00 42.92 43.24 3dp1 s ASP 105 CO -0.01 -0.99 0.78 0.29 -0.17 0.00 0.00 175.17 175.07 3dp1 n LYS 106 N -0.37 -4.72 -3.83 4.34 5.02 -1.26 -1.72 118.16 115.62 3dp1 n LYS 106 Ca -0.16 0.55 -0.36 0.00 -2.02 0.00 0.00 58.31 56.32 3dp1 n LYS 106 Cb 0.65 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.40 3dp1 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dp1 s VAL 107 N -3.53 5.46 -0.01 -0.18 0.11 -1.26 -3.87 120.40 117.12 3dp1 s VAL 107 Ca 0.34 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 3dp1 s VAL 107 Cb -0.17 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 3dp1 s VAL 107 CO 0.84 0.55 0.00 -0.54 -3.33 0.00 0.00 175.10 172.62 3dp1 s LYS 108 N -0.48 0.08 -0.18 1.54 1.02 -0.93 -4.96 119.74 115.83 3dp1 s LYS 108 Ca 0.12 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 3dp1 s LYS 108 Cb -0.12 -0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 3dp1 s LYS 108 CO 0.02 -0.04 0.00 -0.06 -0.92 0.00 0.00 175.35 174.34 3dp1 s PHE 109 N 0.37 3.08 -0.16 3.18 0.40 -1.26 -1.02 117.98 122.58 3dp1 s PHE 109 Ca -0.03 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3dp1 s PHE 109 Cb -0.05 -2.03 -0.11 0.00 0.51 0.00 0.00 43.02 41.33 3dp1 s PHE 109 CO -0.01 -0.06 -0.11 0.54 0.70 0.00 0.00 175.22 176.28 3dp1 n ARG 110 N 3.78 0.64 -4.25 0.44 1.74 -0.40 -4.99 116.66 113.62 3dp1 n ARG 110 Ca -0.17 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 3dp1 n ARG 110 Cb 0.52 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 3dp1 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp1 s ILE 111 N -2.32 0.61 0.35 0.55 1.01 -1.16 -5.06 121.20 115.17 3dp1 s ILE 111 Ca -0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 3dp1 s ILE 111 Cb 0.05 -0.58 -0.10 0.00 0.01 0.00 0.00 42.46 41.85 3dp1 s ILE 111 CO 0.39 0.21 1.30 -2.16 0.00 0.00 0.00 174.94 174.69 3dp1 s PRO 112 N 0.45 4.27 -0.16 2.79 0.04 -1.26 -4.83 135.00 136.30 3dp1 s PRO 112 Ca -0.06 2.20 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 3dp1 s PRO 112 Cb -0.10 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 3dp1 s PRO 112 CO 0.00 -0.25 0.17 0.08 0.04 0.00 0.00 177.00 177.04 3dp1 s VAL 113 N -1.17 5.41 0.24 -0.36 1.01 -1.26 -5.02 120.40 119.24 3dp1 s VAL 113 Ca 0.51 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3dp1 s VAL 113 Cb -0.39 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3dp1 s VAL 113 CO 0.52 0.50 0.10 0.42 0.00 0.00 0.00 175.10 176.64 3dp1 s THR 114 N -0.14 0.40 0.18 3.92 -4.23 -1.26 -0.66 115.64 113.84 3dp1 s THR 114 Ca 0.12 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.30 3dp1 s THR 114 Cb -0.12 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 3dp1 s THR 114 CO 0.02 -0.03 1.45 -2.65 -0.54 0.00 0.00 174.62 172.87 3dp1 n PRO 115 N -0.39 1.87 0.00 3.99 -0.02 -1.26 -1.42 135.00 137.77 3dp1 n PRO 115 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3dp1 n PRO 115 Cb 0.66 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3dp1 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp1 n GLY 116 N 2.72 2.29 3.81 -1.23 0.00 0.24 -4.90 105.19 108.12 3dp1 n GLY 116 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3dp1 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp1 s ASP 117 N -1.54 7.10 -0.48 1.61 1.01 -0.51 -4.90 116.67 118.96 3dp1 s ASP 117 Ca 0.00 1.60 -0.12 0.00 0.71 0.00 0.00 52.55 54.74 3dp1 s ASP 117 Cb 0.00 -2.49 0.11 0.00 1.01 0.00 0.00 42.92 41.54 3dp1 s ASP 117 CO 0.00 -0.11 0.38 -0.60 0.21 0.00 0.00 175.17 175.05 3dp1 s ARG 118 N -2.38 2.74 -0.55 8.23 3.52 -1.26 -1.25 118.95 128.00 3dp1 s ARG 118 Ca 0.51 -1.62 -0.25 0.00 -0.13 0.00 0.00 55.73 54.24 3dp1 s ARG 118 Cb -0.15 -4.05 0.04 0.00 -1.56 0.00 0.00 34.95 29.23 3dp1 s ARG 118 CO 0.20 -1.16 0.98 -1.17 -0.81 0.00 0.00 175.30 173.34 3dp1 s LEU 119 N 1.49 3.99 -0.21 -0.88 2.96 -0.27 -4.36 118.68 121.40 3dp1 s LEU 119 Ca 0.04 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3dp1 s LEU 119 Cb -0.26 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 3dp1 s LEU 119 CO 0.02 -1.25 0.19 -0.70 -1.32 0.00 0.00 176.35 173.29 3dp1 s GLU 120 N 4.10 4.15 -0.16 1.98 2.12 0.50 -0.40 118.70 130.99 3dp1 s GLU 120 Ca 0.33 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.39 3dp1 s GLU 120 Cb -0.11 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 3dp1 s GLU 120 CO 0.21 0.16 0.23 0.71 -0.54 0.00 0.00 175.26 176.03 3dp1 s TYR 121 N 0.75 3.47 -0.29 5.30 1.51 0.49 0.61 117.35 129.20 3dp1 s TYR 121 Ca 0.10 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 3dp1 s TYR 121 Cb -0.13 -2.24 0.08 0.00 -0.11 0.00 0.00 41.96 39.56 3dp1 s TYR 121 CO 0.02 0.33 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.77 3dp1 s HIS 122 N 0.19 3.00 0.01 2.71 3.76 0.50 -1.05 115.29 124.40 3dp1 s HIS 122 Ca 0.14 -2.33 0.07 0.00 -0.15 0.00 0.00 55.06 52.79 3dp1 s HIS 122 Cb -0.12 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 3dp1 s HIS 122 CO 0.03 -0.87 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.31 3dp1 s LEU 123 N 1.18 2.09 0.12 0.89 2.01 -0.36 -0.98 118.68 123.63 3dp1 s LEU 123 Ca 0.01 -0.45 0.07 0.00 0.01 0.00 0.00 54.13 53.77 3dp1 s LEU 123 Cb -0.19 -1.10 -0.04 0.00 0.01 0.00 0.00 46.19 44.88 3dp1 s LEU 123 CO -0.09 0.24 -0.17 -1.83 1.01 0.00 0.00 176.35 175.51 3dp1 s GLU 124 N -0.76 1.08 -0.04 1.70 -1.05 -0.45 0.10 118.70 119.28 3dp1 s GLU 124 Ca 0.08 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 3dp1 s GLU 124 Cb -0.09 -1.14 -0.03 0.00 -0.44 0.00 0.00 34.13 32.43 3dp1 s GLU 124 CO 0.00 0.24 1.14 0.08 0.95 0.00 0.00 175.26 177.67 3dp1 s VAL 125 N -1.67 4.39 -0.22 1.83 1.01 0.14 -2.06 120.40 123.82 3dp1 s VAL 125 Ca 0.08 1.70 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 3dp1 s VAL 125 Cb -0.08 -4.09 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 3dp1 s VAL 125 CO 0.04 0.03 -0.03 0.18 0.00 0.00 0.00 175.10 175.33 3dp1 n LEU 126 N 4.83 2.51 -3.55 3.92 4.77 0.20 -4.95 117.00 124.74 3dp1 n LEU 126 Ca 0.10 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3dp1 n LEU 126 Cb 0.47 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3dp1 n LEU 126 CO 0.54 0.75 0.68 -0.75 -1.33 0.00 0.00 177.39 177.28 3dp1 s LYS 127 N -2.51 0.75 0.08 3.23 2.20 -0.93 -5.04 119.74 117.52 3dp1 s LYS 127 Ca -0.31 0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 55.13 3dp1 s LYS 127 Cb 0.09 0.35 0.08 0.00 -1.51 0.00 0.00 37.83 36.84 3dp1 s LYS 127 CO 0.62 -0.25 0.66 -3.38 -0.36 0.00 0.00 175.35 172.64 3dp1 s HIS 128 N -1.50 -0.54 -0.29 4.03 -3.43 -1.26 -0.90 115.29 111.40 3dp1 s HIS 128 Ca -0.03 0.52 -0.16 0.00 -0.80 0.00 0.00 55.06 54.59 3dp1 s HIS 128 Cb -0.00 0.52 0.16 0.00 -1.43 0.00 0.00 32.58 31.83 3dp1 s HIS 128 CO 0.02 -0.74 1.05 -1.59 -2.00 0.00 0.00 174.74 171.47 3dp1 s LYS 129 N -2.98 0.28 7.45 -0.38 -2.85 -0.77 -5.03 119.74 115.45 3dp1 s LYS 129 Ca -0.02 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 3dp1 s LYS 129 Cb -0.01 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3dp1 s LYS 129 CO -0.07 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.72 3dp1 n GLY 130 N 4.06 2.88 0.49 0.59 0.00 -1.26 -1.68 105.19 110.27 3dp1 n GLY 130 Ca -0.15 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3dp1 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp1 n MET 131 N 13.57 1.59 -3.31 1.61 2.81 -1.26 -4.86 117.12 127.28 3dp1 n MET 131 Ca 0.00 -0.99 -0.42 0.00 -1.81 0.00 0.00 57.70 54.47 3dp1 n MET 131 Cb 0.00 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 30.95 3dp1 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp1 s ILE 132 N -2.09 5.07 -0.12 2.02 1.01 -0.68 -1.39 121.20 125.01 3dp1 s ILE 132 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.93 3dp1 s ILE 132 Cb 0.21 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 3dp1 s ILE 132 CO 0.37 -0.32 -0.19 0.26 0.00 0.00 0.00 174.94 175.05 3dp1 s TRP 133 N 2.22 2.68 -0.28 3.97 0.52 -0.10 -1.85 118.94 126.09 3dp1 s TRP 133 Ca 0.14 -1.01 -0.03 0.00 0.02 0.00 0.00 56.10 55.23 3dp1 s TRP 133 Cb -0.16 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 3dp1 s TRP 133 CO 0.14 -0.42 -0.00 -1.14 0.02 0.00 0.00 176.95 175.54 3dp1 s GLN 134 N 0.52 2.67 0.36 4.98 0.74 -0.08 -0.52 119.66 128.33 3dp1 s GLN 134 Ca -0.13 -1.11 0.07 0.00 0.05 0.00 0.00 55.36 54.25 3dp1 s GLN 134 Cb -0.17 -3.15 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 3dp1 s GLN 134 CO 0.05 -0.52 -0.01 0.14 -0.55 0.00 0.00 175.29 174.39 3dp1 s VAL 135 N 1.32 1.86 0.08 1.34 -7.23 0.43 -0.63 120.40 117.57 3dp1 s VAL 135 Ca -0.02 -2.06 -0.26 0.00 -1.81 0.00 0.00 61.98 57.83 3dp1 s VAL 135 Cb -0.18 -2.82 0.07 0.00 0.56 0.00 0.00 36.38 34.01 3dp1 s VAL 135 CO -0.02 -0.08 0.65 -0.83 -0.31 0.00 0.00 175.10 174.51 3dp1 s GLY 136 N -3.62 -0.59 0.00 2.32 0.00 -0.87 -0.66 107.32 103.90 3dp1 s GLY 136 Ca 0.34 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.87 3dp1 s GLY 136 CO 0.16 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.31 3dp1 n GLY 137 N 0.05 -0.71 3.21 0.20 0.00 -0.06 -1.34 105.19 106.54 3dp1 n GLY 137 Ca -0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3dp1 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp1 s THR 138 N -4.00 0.00 -0.06 2.61 -4.23 -0.15 -1.89 115.64 107.92 3dp1 s THR 138 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3dp1 s THR 138 Cb 0.00 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3dp1 s THR 138 CO 0.00 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.86 3dp1 s ALA 139 N -4.12 1.94 0.06 3.99 0.00 -0.21 -0.37 121.76 123.05 3dp1 s ALA 139 Ca 0.39 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3dp1 s ALA 139 Cb 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3dp1 s ALA 139 CO 0.13 0.34 -0.12 -0.65 0.00 0.00 0.00 175.76 175.47 3dp1 s GLN 140 N 0.00 0.72 -0.12 0.00 -0.21 0.20 -0.30 119.66 119.95 3dp1 s GLN 140 Ca -0.06 -0.89 -0.00 0.00 0.02 0.00 0.00 55.36 54.42 3dp1 s GLN 140 Cb -0.14 -0.63 0.03 0.00 1.00 0.00 0.00 33.01 33.27 3dp1 s GLN 140 CO 0.04 0.13 -0.07 0.08 -2.12 0.00 0.00 175.29 173.35 3dp1 s VAL 141 N -1.33 1.04 -1.47 1.09 1.01 -0.75 -0.37 120.40 119.62 3dp1 s VAL 141 Ca -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3dp1 s VAL 141 Cb -0.10 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.25 3dp1 s VAL 141 CO 0.02 0.34 0.60 -0.67 0.00 0.00 0.00 175.10 175.38 3dp1 n ASP 142 N 4.94 -1.60 0.00 3.32 4.64 -1.26 -1.80 116.55 124.79 3dp1 n ASP 142 Ca -0.12 -0.96 0.00 0.00 -1.38 0.00 0.00 54.79 52.33 3dp1 n ASP 142 Cb 0.50 -3.22 0.00 0.00 -1.04 0.00 0.00 41.12 37.36 3dp1 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dp1 n GLY 143 N -1.78 1.36 3.62 0.27 0.00 -1.26 -5.03 105.19 102.38 3dp1 n GLY 143 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3dp1 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp1 s LYS 144 N -0.01 2.83 -0.06 1.61 1.02 -0.74 -5.06 119.74 119.33 3dp1 s LYS 144 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3dp1 s LYS 144 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 3dp1 s LYS 144 CO 0.00 0.68 1.51 0.08 -0.92 0.00 0.00 175.35 176.70 3dp1 s VAL 145 N -0.85 3.73 -0.05 3.17 1.01 -1.26 -1.80 120.40 124.35 3dp1 s VAL 145 Ca 0.13 0.96 0.18 0.00 0.00 0.00 0.00 61.98 63.26 3dp1 s VAL 145 Cb -0.11 -3.62 -0.28 0.00 0.00 0.00 0.00 36.38 32.37 3dp1 s VAL 145 CO 0.02 -0.06 0.36 0.55 0.00 0.00 0.00 175.10 175.97 3dp1 n VAL 146 N 5.23 0.18 -3.54 2.92 3.14 0.58 -4.57 118.33 122.28 3dp1 n VAL 146 Ca 0.16 -0.48 -0.13 0.00 -2.96 0.00 0.00 64.34 60.93 3dp1 n VAL 146 Cb 0.43 -0.02 -0.05 0.00 -1.06 0.00 0.00 33.84 33.14 3dp1 n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dp1 s ALA 147 N -3.17 -1.84 0.14 1.55 0.00 -1.08 -1.27 121.76 116.08 3dp1 s ALA 147 Ca -0.07 1.34 0.09 0.00 0.00 0.00 0.00 51.96 53.32 3dp1 s ALA 147 Cb 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3dp1 s ALA 147 CO 0.77 -0.42 -0.22 -1.21 0.00 0.00 0.00 175.76 174.68 3dp1 s GLU 148 N -1.64 1.28 -0.17 0.00 2.02 -0.19 -1.05 118.70 118.96 3dp1 s GLU 148 Ca -0.03 -1.32 -0.31 0.00 0.02 0.00 0.00 54.97 53.33 3dp1 s GLU 148 Cb -0.00 -1.55 0.14 0.00 0.10 0.00 0.00 34.13 32.82 3dp1 s GLU 148 CO 0.02 0.35 1.08 0.00 0.02 0.00 0.00 175.26 176.72 3dp1 s ALA 149 N -1.46 -1.97 0.02 5.21 0.00 -0.79 -2.19 121.76 120.58 3dp1 s ALA 149 Ca 0.13 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.70 3dp1 s ALA 149 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3dp1 s ALA 149 CO 0.06 -0.39 -0.12 -1.21 0.00 0.00 0.00 175.76 174.10 3dp1 s GLU 150 N -1.56 0.88 0.03 0.00 2.02 -0.70 -0.88 118.70 118.49 3dp1 s GLU 150 Ca 0.03 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 3dp1 s GLU 150 Cb -0.01 -0.85 0.07 0.00 0.10 0.00 0.00 34.13 33.44 3dp1 s GLU 150 CO -0.03 0.22 0.63 -0.48 0.02 0.00 0.00 175.26 175.62 3dp1 s LEU 151 N -0.88 -0.55 -0.07 1.80 0.05 0.17 -1.25 118.68 117.94 3dp1 s LEU 151 Ca 0.01 0.43 0.02 0.00 0.05 0.00 0.00 54.13 54.64 3dp1 s LEU 151 Cb -0.07 2.50 0.01 0.00 -2.05 0.00 0.00 46.19 46.59 3dp1 s LEU 151 CO 0.01 -0.73 -0.12 -0.75 -0.55 0.00 0.00 176.35 174.20 3dp1 s LYS 152 N -2.14 1.74 0.19 1.48 2.20 -0.41 -0.43 119.74 122.38 3dp1 s LYS 152 Ca -0.07 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 3dp1 s LYS 152 Cb -0.00 -1.47 -0.05 0.00 -1.51 0.00 0.00 37.83 34.80 3dp1 s LYS 152 CO 0.01 -0.01 -0.08 0.00 -0.36 0.00 0.00 175.35 174.91 3dp1 s ALA 153 N 0.79 1.75 -0.05 3.13 0.00 0.32 -0.27 121.76 127.43 3dp1 s ALA 153 Ca -0.12 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.25 3dp1 s ALA 153 Cb -0.15 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3dp1 s ALA 153 CO 0.02 -0.09 -0.18 1.41 0.00 0.00 0.00 175.76 176.92 3dp1 s MET 154 N -3.75 2.00 0.02 0.00 1.75 0.44 -0.92 119.30 118.84 3dp1 s MET 154 Ca 0.22 -0.65 -0.16 0.00 -1.25 0.00 0.00 55.69 53.85 3dp1 s MET 154 Cb 0.03 -1.69 -0.06 0.00 2.84 0.00 0.00 34.83 35.95 3dp1 s MET 154 CO 0.05 0.23 0.45 0.42 -0.65 0.00 0.00 175.02 175.52 3dp1 s ILE 155 N 0.11 4.96 0.15 10.11 1.01 -0.49 -0.39 121.20 136.67 3dp1 s ILE 155 Ca -0.06 0.91 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 3dp1 s ILE 155 Cb -0.13 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 3dp1 s ILE 155 CO 0.03 0.56 0.28 0.00 0.00 0.00 0.00 174.94 175.81 3dp1 s ALA 156 N -1.10 -0.10 0.07 9.38 0.00 -0.32 -4.79 121.76 124.91 3dp1 s ALA 156 Ca 0.25 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3dp1 s ALA 156 Cb -0.17 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3dp1 s ALA 156 CO 0.15 -0.63 1.01 -1.21 0.00 0.00 0.00 175.76 175.08 3dp1 s GLU 157 N -3.94 4.60 0.00 0.00 0.41 -1.26 -0.03 118.70 118.48 3dp1 s GLU 157 Ca 0.14 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.21 3dp1 s GLU 157 Cb 0.03 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 3dp1 s GLU 157 CO -0.02 0.04 0.31 0.54 -0.49 0.00 0.00 175.26 175.64